碳纳米管振动频率对水合离子团阻塞的影响

Study of carbon nanotubes' vibration frequency on the blocking of hydrated ion group

为了解决水合离子团的阻塞问题,以碳纳米管进行海水淡化为背景,选取(6,6)扶手椅型碳纳米管作为研究模型,采用分子动力学方法模拟计算碳纳米管的水分子通过性和离子选择性,研究了碳纳米管振动频率对水合离子团的阻塞作用。研究结果表明:通过施加外力使碳纳米管发生周期性振动,可有效改善水合离子团对碳纳米管的阻塞;不同的振动频率对水分子通过碳纳米管的速率有不同影响,且得出了最恰当的频率。

In order to solve the blocking problems of hydrated ion group,on the basis of desalinating sea water with carbon nanotubes,choosing the（6,6） type armchair carbon nanotubes as model,the study explores the effect of carbon nanotubes＇ vibration on the blocking of the hydration ion group from the perspective of molecular dynamics.The study results show that the carbon nanotube vibration can effectively dissolve the blocking of the hydration ion groups in the carbon nanotube orifices,and different vibration frequency has various effects on the transit rate of water molecule going through carbon nanotubes,the most appropriate frequency is also obtained.